(2,4-dichlorophenyl) pyrrolidine-1-carboxylate (CED0049465)

Record Information
Version1.0
Creation Date2026-08-26 20:18:46 UTC
Update Date2026-08-26 20:18:46 UTC
Accession NumberCHEM276179
Identification
Common Name(2,4-dichlorophenyl) pyrrolidine-1-carboxylate
ClassSmall Molecule
Description
(2,4-dichlorophenyl) pyrrolidine-1-carboxylate belongs to the pyrrolidine carboxylic acids and derivatives, a subclass of pyrrolidines within the organic compounds. This organoheterocyclic compound has the formula C11H11Cl2NO2 and an average molecular weight of 260.11 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC11H11Cl2NO2
Average Molecular MassNot Available
Monoisotopic Mass259.017 g/mol
CAS Registry Number40575-34-6
IUPAC NameNot Available
Traditional NameNot Available
SMILESC1CCN(C1)C(=O)OC2=C(C=C(C=C2)Cl)Cl
InChI IdentifierInChI=1S/C11H11Cl2NO2/c12-8-3-4-10(9(13)7-8)16-11(15)14-5-1-2-6-14/h3-4,7H,1-2,5-6H2
InChI KeyWKMRIBJBDSRIMJ-UHFFFAOYSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
558.0Log mg/kg[310:990]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
650Purses Luggage Hand BagsTextiles, leather & furnishingsNot Available
654Sleeve LinksTextiles, leather & furnishingsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Coagulation factor VIII structureClick to view 3D structureCoagulation factor VIIIP00451HumansPredicted (SEA)1.24559
Click to view 3D structureEnoyl-acyl-carrier protein reductaseQ965D5Plasmodium falciparumPredicted (SEA)7.94062
Click to view 3D structureFatty-acid amide hydrolase 1O08914Mus musculusPredicted (SEA)33.9423
Cytochrome P450 2C9 structureClick to view 3D structureCytochrome P450 2C9P11712HumansPredicted (SEA)912.471
Cytochrome P450 2C19 structureClick to view 3D structureCytochrome P450 2C19P33261HumansPredicted (SEA)503.996
Cytochrome P450 2D6 structureClick to view 3D structureCytochrome P450 2D6P10635HumansPredicted (SEA)793.284
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)1272.76
Cannabinoid receptor 1 structureClick to view 3D structureCannabinoid receptor 1P21554HumansPredicted (SEA)135.769
Cannabinoid receptor 2 structureClick to view 3D structureCannabinoid receptor 2P34972HumansPredicted (SEA)124.948
Monoglyceride lipase structureClick to view 3D structureMonoglyceride lipaseQ99685HumansPredicted (SEA)42.5835
Click to view 3D structureMonoglyceride lipaseO35678Mus musculusPredicted (SEA)22.187
Click to view 3D structureCannabinoid receptor 2P47936Mus musculusPredicted (SEA)31.2175
Click to view 3D structureGlycoprotein GQ9IH62Henipavirus nipahensePredicted (SEA)9.03051
G-protein coupled receptor 55 structureClick to view 3D structureG-protein coupled receptor 55Q9Y2T6HumansPredicted (SEA)42.2721
Click to view 3D structureSigma intracellular receptor 2Q8VD00Mus musculusPredicted (SEA)2.80257
Click to view 3D structureKappa-type opioid receptorP41144Cavia porcellusPredicted (SEA)338.177
Click to view 3D structureCannabinoid receptor 1P20272Rattus norvegicusPredicted (SEA)62.0458
Kappa-type opioid receptor structureClick to view 3D structureKappa-type opioid receptorP41145HumansPredicted (SEA)649.807
Cytochrome P450 1A2 structureClick to view 3D structureCytochrome P450 1A2P05177HumansPredicted (SEA)824.423
Click to view 3D structurePatatin-like phospholipase domain-containing protein 6Q3TRM4Mus musculusPredicted (SEA)35.3435
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)1857.64
Transient receptor potential cation channel subfamily V member 1 structureClick to view 3D structureTransient receptor potential cation channel subfamily V member 1Q8NER1HumansPredicted (SEA)110.702
Click to view 3D structureEnoyl-acyl carrier reductaseQ6UCJ9Toxoplasma gondiiPredicted (SEA)1.63483
Click to view 3D structureFatty-acid amide hydrolase 1P97612Rattus norvegicusPredicted (SEA)116.151
Lysosomal acid lipase/cholesteryl ester hydrolase structureClick to view 3D structureLysosomal acid lipase/cholesteryl ester hydrolaseP38571HumansPredicted (SEA)0.622794
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available